1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine

C26H25FN4O — CID 59643527

IUPAC1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5ccc(F)cc5)cc4)o3)cc2)C1
InChIInChI=1S/C26H25FN4O/c1-30(2)24-15-16-31(17-24)23-13-9-21(10-14-23)26-29-28-25(32-26)20-5-3-18(4-6-20)19-7-11-22(27)12-8-19/h3-14,24H,15-17H2,1-2H3
InChIKeyISRMMSSERSJLMR-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.35
Rot. Bonds5

About 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine

1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 59643527) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID59643527
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5ccc(F)cc5)cc4)o3)cc2)C1
InChIInChI=1S/C26H25FN4O/c1-30(2)24-15-16-31(17-24)23-13-9-21(10-14-23)26-29-28-25(32-26)20-5-3-18(4-6-20)19-7-11-22(27)12-8-19/h3-14,24H,15-17H2,1-2H3
InChIKeyISRMMSSERSJLMR-UHFFFAOYSA-N
XLogP5.35
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine (CID 59643527) is 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5ccc(F)cc5)cc4)o3)cc2)C1.
What is the InChIKey of 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ISRMMSSERSJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-30(2)24-15-16-31(17-24)23-13-9-21(10-14-23)26-29-28-25(32-26)20-5-3-18(4-6-20)19-7-11-22(27)12-8-19/h3-14,24H,15-17H2,1-2H3.
What are the key properties of 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine?
1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 428.51 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 59643527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).